SCHEMBL18105408

SCHEMBL18105408

C=C(C)/C=C(\N=C/C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ EGFR P00533 2/20 0.33
▸ G6PC1 P35575 1/20 0.33
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ MAPT P10636 4/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25107060 0.85 MEN1 (0.35) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL18792399 0.80 ATM (0.37) KMT2AMEN1CES2CES1MAPT
SCHEMBL17726017 0.79 KMT2A (0.36) KMT2AMEN1EGFRG6PC1CES2
SCHEMBL19085533 0.76 AKT1 (0.36) ATMAKT1
SCHEMBL25113036 0.74 AKT1 (0.37) KMT2AMEN1EGFRCES2CES1
SCHEMBL12448235 0.74 ALDH1A1 (0.41) KMT2AMEN1CES2CES1MAPT
SCHEMBL26482446 0.72 TSHR (0.32) KMT2AMEN1CES1MAPTLMNA
SCHEMBL23715031 0.69 GRM5 (0.34) ALDH1A1
SCHEMBL21444356 0.68 AKT1 (0.36) ATMAKT1
SCHEMBL29720126 0.68 MEN1 (0.36) KMT2AMEN1EGFRCES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 — — US disclosed
US-11329233-B2 Heterocyclic compounds for use in electronic devices MERCK PATENT GMBH (DE) 2022-05-10 — — US disclosed
US-20210363159-A1 HETEROCYCLIC COMPOUND FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-11-25 — — US disclosed
US-10636979-B2 Heterocyclic compounds with dibenzazapine structures MERCK PATENT GMBH (DE) 2020-04-28 — — US disclosed
US-20200098996-A1 MIXTURES COMPRISING AT LEAST TWO ORGANOFUNCTIONAL COMPOUNDS MERCK PATENT GMBH (DE) 2020-03-26 — — US disclosed
US-20200031827-A1 COMPOUNDS HAVING VALEROLACTAM STRUCTURES MERCK PATENT GMBH (DE) 2020-01-30 — — US disclosed
US-20190296250-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-26 — — US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 — — US disclosed
US-20160285009-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 KMT2A 3037/4885MEN1 1205/4885EGFR 1580/4885
US-20190296250-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES NQO1, DDT, ETV6 KMT2A 757/4885MEN1 1480/4885EGFR 1438/4885
US-10636979-B2 Heterocyclic compounds with dibenzazapine structures DDT, MAOA, MAOB KMT2A 678/4885MEN1 4457/4885EGFR 2169/4885
US-20200031827-A1 COMPOUNDS HAVING VALEROLACTAM STRUCTURES ACE, CYP3A4, CYP2D6 KMT2A 1161/4885MEN1 2045/4885EGFR 139/4885
US-11329233-B2 Heterocyclic compounds for use in electronic devices NQO1, DDT, ETV6 KMT2A 757/4885MEN1 1480/4885EGFR 1438/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 KMT2A 3037/4885MEN1 1205/4885EGFR 1580/4885
US-20210363159-A1 HETEROCYCLIC COMPOUND FOR USE IN ELECTRONIC DEVICES DDT, NQO1, CYP2E1 KMT2A 722/4885MEN1 1174/4885EGFR 2077/4885
US-20160285009-A1 Organic Electroluminescent Materials and Devices OCIAD1, OCIAD2, JUND KMT2A 3021/4885MEN1 4134/4885EGFR 3855/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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